N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide

C18H19ClN4O2 — CID 3419515

IUPACN'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1ccccc1Cl)c1ccc(N)cc1
InChIInChI=1S/C18H19ClN4O2/c1-12(13-6-8-14(20)9-7-13)22-23-18(25)11-10-17(24)21-16-5-3-2-4-15(16)19/h2-9H,10-11,20H2,1H3,(H,21,24)(H,23,25)
InChIKeyXKUZDLRUPWGIQP-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.18
Rot. Bonds6

About N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide

N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide (PubChem CID 3419515) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide.

Molecular Properties

Compound NameN'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide
PubChem CID3419515
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1ccccc1Cl)c1ccc(N)cc1
InChIInChI=1S/C18H19ClN4O2/c1-12(13-6-8-14(20)9-7-13)22-23-18(25)11-10-17(24)21-16-5-3-2-4-15(16)19/h2-9H,10-11,20H2,1H3,(H,21,24)(H,23,25)
InChIKeyXKUZDLRUPWGIQP-UHFFFAOYSA-N
XLogP3.18
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-aminophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 3368990
N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 5254130
N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide
CID 135418705
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589
N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide
CID 4307619
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide
CID 5427988
N,N'-bis[1-(4-aminophenyl)ethylideneamino]octanediamide
CID 4586480
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 5416756
N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide
CID 4609647
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
2-(2-chloroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5427824
N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
CID 6110651

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide?
The IUPAC name of N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide (CID 3419515) is N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide.
What is the SMILES notation for N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide?
The canonical SMILES for N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide is CC(=NNC(=O)CCC(=O)Nc1ccccc1Cl)c1ccc(N)cc1.
What is the InChIKey of N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide?
The InChIKey is XKUZDLRUPWGIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-12(13-6-8-14(20)9-7-13)22-23-18(25)11-10-17(24)21-16-5-3-2-4-15(16)19/h2-9H,10-11,20H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide?
N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide has a molecular weight of 358.83 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide is sourced from PubChem (CID 3419515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).